package com.cn.lf.wx;

import org.openscience.cdk.Atom;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.smiles.SmilesParser;
import org.openscience.cdk.tools.manipulator.AtomContainerManipulator;

//import java.util.Arrays;
//
//import org.RDKit.Atom;
//import org.RDKit.ROMol;
//import org.RDKit.RWMol;

public class TestApp {

	public static void main(String[] args) {
//		ROMol mol; Atom a; String smi; 
//		smi = "CC(=O)C=CC=C"; 
//		mol = RWMol.MolFromSmiles(smi);
//		mol.compute2DCoords();
//		String svg = mol.ToSVG(10,100);	
//		System.out.println(svg);
		
		
	}
	
	
}
